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	hartrees
Energy at 0K	-98.626776
Energy at 298.15K
HF Energy	-98.626776
Nuclear repulsion energy	122.814188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1784	1738	33.80	15.57	0.35	0.52
2	A'	1227	1196	145.01	0.71	0.43	0.60
3	A'	1128	1100	176.46	0.14	0.35	0.52
4	A'	982	957	215.29	2.04	0.09	0.16
5	A'	635	619	3.48	14.70	0.12	0.21
6	A'	474	462	1.88	3.56	0.74	0.85
7	A'	421	411	1.67	4.48	0.35	0.51
8	A'	312	304	1.72	4.10	0.66	0.80
9	A'	177	172	4.38	0.90	0.69	0.81
10	A"	496	483	2.34	15.37	0.75	0.86
11	A"	343	334	3.15	0.64	0.75	0.86
12	A"	157	153	0.07	0.12	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.712	-0.668
C2	0.000	0.473
F3	-2.085	-0.711
F4	-0.153	-1.921
F5	-0.649	1.700
Cl6	1.780	0.563

	C1	C2	F3	F4	F5	Cl6
C1		1.3450	1.3733	1.3725	2.3681	2.7790
C2	1.3450		2.3980	2.3992	1.3873	1.7818
F3	1.3733	2.3980		2.2793	2.8064	4.0690
F4	1.3725	2.3992	2.2793		3.6544	3.1469
F5	2.3681	1.3873	2.8064	3.6544		2.6812
Cl6	2.7790	1.7818	4.0690	3.1469	2.6812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.147	C1	C2	Cl6	124.851
C2	C1	F3	123.803	C2	C1	F4	123.974
F3	C1	F4	112.223	F5	C2	Cl6	115.002

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: B3LYP/CEP-121G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.360
2	C	-0.112
3	F	-0.133
4	F	-0.133
5	F	-0.139
6	Cl	0.158

	x	y	z	Total
	0.825	-0.072	0.000	0.828
CHELPG
AIM
ESP

	x	y	z
x	6.930	0.953	0.000
y	0.953	5.310	0.000
z	0.000	0.000	2.360

<r²>	136.901
(<r²>)^1/2	11.700

All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)